N-(4-methylthiolan-3-yl)-2-sulfanylacetamide

C7H13NOS2 — CID 131001602

IUPACN-(4-methylthiolan-3-yl)-2-sulfanylacetamide
SMILESCC1CSCC1NC(=O)CS
InChIInChI=1S/C7H13NOS2/c1-5-3-11-4-6(5)8-7(9)2-10/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyIMZZGYHQQNTLJG-UHFFFAOYSA-N
MW191.32 g/mol
LogP0.78
Rot. Bonds2

About N-(4-methylthiolan-3-yl)-2-sulfanylacetamide

N-(4-methylthiolan-3-yl)-2-sulfanylacetamide (PubChem CID 131001602) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(4-methylthiolan-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylthiolan-3-yl)-2-sulfanylacetamide
PubChem CID131001602
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC NameN-(4-methylthiolan-3-yl)-2-sulfanylacetamide
SMILESCC1CSCC1NC(=O)CS
InChIInChI=1S/C7H13NOS2/c1-5-3-11-4-6(5)8-7(9)2-10/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyIMZZGYHQQNTLJG-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylthiolan-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-(4-methylthiolan-3-yl)-2-sulfanylacetamide (CID 131001602) is N-(4-methylthiolan-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(4-methylthiolan-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(4-methylthiolan-3-yl)-2-sulfanylacetamide is CC1CSCC1NC(=O)CS.
What is the InChIKey of N-(4-methylthiolan-3-yl)-2-sulfanylacetamide?
The InChIKey is IMZZGYHQQNTLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-5-3-11-4-6(5)8-7(9)2-10/h5-6,10H,2-4H2,1H3,(H,8,9).
What are the key properties of N-(4-methylthiolan-3-yl)-2-sulfanylacetamide?
N-(4-methylthiolan-3-yl)-2-sulfanylacetamide has a molecular weight of 191.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylthiolan-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 131001602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).